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Compound Detail

CHEMBL519046

BUDDLEDIN B
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C=C1CC/C=C(\C)C(=O)[C@H](O)[C@@H]2[C@@H]1CC2(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL519046
Name BUDDLEDIN B
Phase Preclinical
Structure Type MOL
InChI Key AXGJIHAKGFPXOX-BFRHVZAJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
12
Publications
0
Known Names

Molecular Properties

234.3
MW (Da)
2.88
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.65
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H22O2
MW 234.34
Aromatic Rings 0
Heavy Atoms 17
NP-Likeness 3.25

Literature References

PubMed DOI Target Context # Activities
10514305 10.1021/np990092+ Unchecked 2
10514305 10.1021/np990092+ Polyunsaturated fatty acid 5-lipoxygenase 2
11000021 10.1021/np0001023 Epidermophyton floccosum 1
11000021 10.1021/np0001023 Trichophyton rubrum 1
11000021 10.1021/np0001023 Trichophyton interdigitale 1
11000021 10.1021/np0001023 Neoscytalidium dimidiatum 1
11000021 10.1021/np0001023 Scopulariopsis brevicaulis 1
11000021 10.1021/np0001023 Saccharomyces cerevisiae 1
11000021 10.1021/np0001023 Penicillium chrysogenum 1
11000021 10.1021/np0001023 Candida albicans 1
11000021 10.1021/np0001023 Aspergillus niger 1
9917289 10.1021/np980271b Oryzias latipes 1

Data from ChEMBL 36 via Core Engine